N-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]piperidin-4-amine

C18H20BrFN2 — CID 7346266

IUPACN-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]piperidin-4-amine
SMILESFc1ccc(CN2CCC(Nc3ccc(Br)cc3)CC2)cc1
InChIInChI=1S/C18H20BrFN2/c19-15-3-7-17(8-4-15)21-18-9-11-22(12-10-18)13-14-1-5-16(20)6-2-14/h1-8,18,21H,9-13H2
InChIKeyHTSGBXBEKWDXLI-UHFFFAOYSA-N
MW363.27 g/mol
LogP4.66
Rot. Bonds4

About N-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]piperidin-4-amine

N-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]piperidin-4-amine (PubChem CID 7346266) has the molecular formula C18H20BrFN2 and a molecular weight of 363.27 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]piperidin-4-amine
PubChem CID7346266
Molecular FormulaC18H20BrFN2
Molecular Weight363.27 g/mol
Exact Mass362.08
IUPAC NameN-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]piperidin-4-amine
SMILESFc1ccc(CN2CCC(Nc3ccc(Br)cc3)CC2)cc1
InChIInChI=1S/C18H20BrFN2/c19-15-3-7-17(8-4-15)21-18-9-11-22(12-10-18)13-14-1-5-16(20)6-2-14/h1-8,18,21H,9-13H2
InChIKeyHTSGBXBEKWDXLI-UHFFFAOYSA-N
XLogP4.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.27
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,5-dimethylphenyl)-1-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 5184956
1-[(4-ethoxyphenyl)methyl]-N-(4-fluorophenyl)piperidin-4-amine
CID 4551536
N-(4-bromophenyl)-1-[(4-ethylphenyl)methyl]piperidin-4-amine;oxalic acid
CID 163327898
1-[(4-bromophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119923471
N-(4-bromophenyl)-1-[(2-bromophenyl)methyl]piperidin-4-amine
CID 5244470
1-[(4-bromophenyl)methyl]-N-cyclopentylpiperidin-4-amine
CID 119128198
1,4,7,10-tetrakis[(4-fluorophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293981
1,4,7,10-tetrakis[(4-bromophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 71732809
1-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidin-4-amine
CID 43684534
N-(4-bromophenyl)-1-[(3-nitrophenyl)methyl]piperidin-4-amine
CID 7346272
4-bromo-1-[(4-bromophenyl)methyl]piperidine
CID 80680051
1-[(4-bromophenyl)methyl]-N-(oxolan-3-yl)piperidin-4-amine
CID 71969177

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]piperidin-4-amine?
The IUPAC name of N-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]piperidin-4-amine (CID 7346266) is N-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]piperidin-4-amine.
What is the SMILES notation for N-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]piperidin-4-amine?
The canonical SMILES for N-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]piperidin-4-amine is Fc1ccc(CN2CCC(Nc3ccc(Br)cc3)CC2)cc1.
What is the InChIKey of N-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]piperidin-4-amine?
The InChIKey is HTSGBXBEKWDXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrFN2/c19-15-3-7-17(8-4-15)21-18-9-11-22(12-10-18)13-14-1-5-16(20)6-2-14/h1-8,18,21H,9-13H2.
What are the key properties of N-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]piperidin-4-amine?
N-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]piperidin-4-amine has a molecular weight of 363.27 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 7346266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).